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	hartrees
Energy at 0K	-117.545314
Energy at 298.15K	-117.551656
HF Energy	-117.065768
Nuclear repulsion energy	74.961847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3156	3156
2	A₁'	1519	1519
3	A₁'	1216	1216
4	A₁"	1149	1149
5	A₂'	1072	1072
6	A₂"	3251	3251
7	A₂"	847	847
8	E'	3143	3143
8	E'	3143	3143
9	E'	1456	1456
9	E'	1456	1456
10	E'	1060	1060
10	E'	1059	1059
11	E'	894	894
11	E'	894	894
12	E"	3232	3232
12	E"	3232	3232
13	E"	1203	1203
13	E"	1203	1203
14	E"	730	730
14	E"	730	730

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.878	0.000
C2	0.761	-0.439	0.000
C3	-0.761	-0.439	0.000
H4	0.000	1.470	0.923
H5	1.273	-0.735	0.923
H6	-1.273	-0.735	0.923
H7	0.000	1.470	-0.923
H8	1.273	-0.735	-0.923
H9	-1.273	-0.735	-0.923

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5212	1.5212	1.0968	2.2532	2.2532	1.0968	2.2532	2.2532
C2	1.5212		1.5212	2.2532	1.0968	2.2532	2.2532	1.0968	2.2532
C3	1.5212	1.5212		2.2532	2.2532	1.0968	2.2532	2.2532	1.0968
H4	1.0968	2.2532	2.2532		2.5467	2.5467	1.8466	3.1457	3.1457
H5	2.2532	1.0968	2.2532	2.5467		2.5467	3.1457	1.8466	3.1457
H6	2.2532	2.2532	1.0968	2.5467	2.5467		3.1457	3.1457	1.8466
H7	1.0968	2.2532	2.2532	1.8466	3.1457	3.1457		2.5467	2.5467
H8	2.2532	1.0968	2.2532	3.1457	1.8466	3.1457	2.5467		2.5467
H9	2.2532	2.2532	1.0968	3.1457	3.1457	1.8466	2.5467	2.5467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.872
C1	C2	H8	117.872	C1	C3	C2	60.000
C1	C3	H6	117.872	C1	C3	H9	117.872
C2	C1	C3	60.000	C2	C1	H4	117.872
C2	C1	H7	117.872	C2	C3	H6	117.872
C2	C3	H9	117.872	C3	C1	H4	117.872
C3	C1	H7	117.872	C3	C2	H5	117.872
C3	C2	H8	117.872	H4	C1	H7	114.656
H5	C2	H8	114.656	H6	C3	H9	114.656

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD(TQ)/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: QCISD(TQ)/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)